SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
CCC1=NO[C@@H](C(=O)NCCCC[C@@H](CO)NC(=O)CCc2ccc(C)cc2)C1
|
CCC=NO[C@@H]C=O)NCCCC[C@@H]CO))NC=O)CCccccC)cc6)))))))))))))))))C5
|
[C][C][C][=N][O][C@@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][O]
|
C5CCC[C@H]6CO.CCC1=NO[C@@H]7C1.c18ccc(C)cc1.C4(=O)CC8.C37=O.N35.N46
|
CC[C@@](C)(CO)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2CC3(CC3)C2)C1
|
CC[C@@]C)CO))C=O)NC[C@@H]CC[C@]4NC=O)CCCCC3))C4))))))C7
|
[C][C][C@@][Branch1][C][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@][Ring1][Ring2][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][=Branch1][C][Ring1][S]
|
CC[C@@](C)(CO)C4=O.N14C[C@@H]2CC[C@]26C1.C17CC2(CC2)C1.C57=O.N56
|
COc1ccsc1C(=O)N[C@H]1C[C@H](CNC(=O)c2cccn2C2CCCC2)C1
|
COcccsc5C=O)N[C@H]C[C@H]CNC=O)ccccn5CCCCC5)))))))))))))C4
|
[C][O][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][C]
|
c15ccsc18.c19cccn1%11.[C@H]17C[C@H]%10C1.C1%11CCCC1.C38=O.C49=O.CO5.N37.C6%10.N46
|
CC1=C[C@H](C(=O)N2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]3C[C@H]32)SC1
|
CC=C[C@H]C=O)NCCNC=O)Cncc[N+]=O)[O-]))cn5)))))))[C@H]C[C@H]37))))))))SC5
|
[C][C][=C][C@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][Branch2][C@H1][C][C@H1][Ring1][Ring1][Ring2][Ring1][C][S][C][Ring2][Ring1][=Branch2]
|
N14CCN5[C@H]2C[C@H]21.n17cc([N+](=O)[O-])cn1.CC1=C[C@H]6SC1.C5(=O)C7.C46=O
|
CCCC=C(CC)C(=O)NC[C@@H]1CN(C(=O)[C@]2(CCC)CCNC2=O)CCN1C
|
CCCC=CCC))C=O)NC[C@@H]CNC=O)[C@]CCC)))CCNC5=O)))))))CCN6C
|
[C][C][C][C][=C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@][Branch1][Ring2][C][C][C][C][C][N][C][Ring1][Branch2][=O][C][C][N][Ring1][P][C]
|
[C@@H]18CN4CCN1C.[C@@]169CCNC1=O.C=7(CC)C3=O.CCCC=7.C46=O.C9CC.N35.C58
|
CSCC(=O)N(C)C[C@H](Cc1ccccc1)NC(=O)[C@]1(C)CCCS1
|
CSCC=O)NC)C[C@H]Ccccccc6)))))))NC=O)[C@]C)CCCS5
|
[C][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][S][Ring1][=Branch1]
|
c18ccccc1.[C@@]17(C)CCCS1.C4[C@@H]5C8.C6C2=O.N24C.C37=O.CS6.N35
|
CCc1[nH]ccc1C(=O)N[C@H]1CC12CC(NC(=O)c1cccc(C(N)=O)c1F)C2
|
CCc[nH]ccc5C=O)N[C@H]CC3CCNC=O)cccccCN)=O))c6F)))))))))C4
|
[C][C][C][NH1][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][C][C][Ring1][Ring1][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][F][C][Ring1][P]
|
c18cccc9c1F.[C@H]15CC12CC6C2.c1%10[nH]ccc17.C37=O.C48=O.C9(N)=O.CC%10.N35.N46
|
COC(=O)[C@]1(C(=O)NCCCCCC(=O)N2CCCC3(C2)N=N3)C[C@@H]1C
|
COC=O)[C@]C=O)NCCCCCC=O)NCCCCC6)N=N3)))))))))))))))C[C@@H]3C
|
[C][O][C][=Branch1][C][=O][C@][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][N][=N][Ring1][Ring2][C][C@@H1][Ring2][Ring1][Branch1][C]
|
C7CCCCC6=O.N16CCCC2(C1)N=N2.[C@@]189C[C@@H]1C.C48=O.C59=O.CO4.N57
|
CCOC(Cc1cn(CC2CN(C(=O)C[C@H]3CC3(Cl)Cl)C2)nn1)OCC
|
CCOCCccnCCCNC=O)C[C@H]CC3Cl)Cl))))))C4)))))nn5))))))OCC
|
[C][C][O][C][Branch2][Ring2][Ring2][C][C][=C][N][Branch2][Ring1][Branch2][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C@H1][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][C][Ring1][N][N][=N][Ring2][Ring1][C][O][C][C]
|
c1%10cn9nn1.C1%11CN4C1.[C@H]1%12CC1(Cl)Cl.C67C%10.C4(=O)C%12.CC5.O56.C9%11.O78.C8C
|
O=C(N[C@@H]1C[C@H]1[C@@H]1CCCN(C(=O)COCCO)C1)c1coc(CO)c1
|
O=CN[C@@H]C[C@H]3[C@@H]CCCNC=O)COCCO))))))C6))))))))))ccocCO))c5
|
[O][=C][Branch2][Ring1][#Branch2][N][C@@H1][C][C@H1][Ring1][Ring1][C@@H1][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][O][C][C][O][C][Ring1][=N][C][=C][O][C][Branch1][Ring1][C][O][=C][Ring1][#Branch1]
|
[C@@H]16C[C@H]1[C@@H]1CCCN3C1.c17coc8c1.C3(=O)C4.O=C27.C5CO.N26.O45.C8O
|
CCNC(=O)[C@H](c1ccc(F)cc1F)N(C)[C@@H]1CS(=O)(=O)C1(C)C
|
CCNC=O)[C@H]ccccF)cc6F)))))))NC)[C@@H]CS=O)=O)C4C)C
|
[C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][Branch1][C][C][C@@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][=Branch1][Branch1][C][C][C]
|
c16ccc(F)cc1F.[C@@H]15CS(=O)(=O)C1(C)C.C2(=O)[C@@H]46.N45C.CC3.N23
|
C#CCCCCNC(=O)c1cc2ccc(-c3cccc4c3OCCC4)cc2n1C
|
C#CCCCCNC=O)cccccc-cccccc6OCCC6))))))))))cc6n9C
|
[C][#C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][N][Ring2][Ring1][Ring1][C]
|
c17cc2ccc8cc2n1C.c18cccc2c1OCCC2.C#CCCCC6.C57=O.N56
|
C=C(Br)CCC(=O)N1CCN(C(=O)CN2CCC(C(N)=O)CC2)C[C@@H]1CF
|
C=CBr)CCC=O)NCCNC=O)CNCCCCN)=O))CC6))))))))C[C@@H]6CF
|
[C][=C][Branch1][C][Br][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][C@@H1][Ring2][Ring1][C][C][F]
|
N13CCN4C[C@@H]17.C=C(Br)CCC3=O.N15CCC6CC1.C4(=O)C5.C6(N)=O.C7F
|
C[C@@H](CO)CCNC(=O)[C@@H](C)C1CCN(Cc2ccc(N(C)C)cc2Cl)CC1
|
C[C@@H]CO))CCNC=O)[C@@H]C)CCCNCccccNC)C))cc6Cl))))))))CC6
|
[C][C@@H1][Branch1][Ring1][C][O][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][Cl][C][C][Ring1][P]
|
c18ccc6cc1Cl.C17CCN5CC1.C[C@@H](CO)CC4.C3(=O)[C@H]7C.N6(C)C.N34.C58
|
C[C@@]1(CN2C(=O)CN(C[C@@]3(C)CC3(F)F)C2=O)CCCS1
|
C[C@@]CNC=O)CNC[C@@]C)CC3F)F)))))C5=O)))))))CCCS5
|
[C][C@@][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][N][Branch1][=C][C][C@@][Branch1][C][C][C][C][Ring1][Ring2][Branch1][C][F][F][C][Ring1][=N][=O][C][C][C][S][Ring2][Ring1][Ring2]
|
N14C(=O)CN5C1=O.C[C@@]16CCCS1.[C@]17(C)CC1(F)F.C46.C57
|
O=C(N[C@H]1CCCCC12CCN(C(=O)Cc1ccno1)CC2)c1ccsc1Cl
|
O=CN[C@H]CCCCC6CCNC=O)Ccccno5)))))))CC6))))))))))))cccsc5Cl
|
[O][=C][Branch2][Ring1][#C][N][C@H1][C][C][C][C][C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][C][=N][O][Ring1][Branch1][C][C][Ring1][=C][C][C][=C][S][C][=Ring1][Branch1][Cl]
|
[C@H]15CCCCC12CCN4CC2.c16ccsc1Cl.c17ccno1.C4(=O)C7.O=C36.N35
|
C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCC(N3CCC[C@H](CCO)C3)CC2)C1
|
C=C[C@@H]O)CC)C)C=O)NCCCCCNCCC[C@H]CCO)))C6))))))CC6)))))C4
|
[C][=C][C@@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][#Branch1][C][C][C][Branch1][=C][N][C][C][C][C@H1][Branch1][Ring2][C][C][O][C][Ring1][=Branch2][C][C][Ring1][#C][C][Ring2][Ring1][C]
|
N14CC2(CCC5CC2)C1.C=C[C@@H](O)C(C)(C)C4=O.N15CCC[C@H]6C1.C6CO
|
CCSCC[C@@H](C)NS(=O)(=O)c1ccc2nc(N(C)Cc3cn(C)cn3)sc2c1
|
CCSCC[C@@H]C)NS=O)=O)ccccncNC)CccnC)cn5)))))))sc5c9
|
[C][C][S][C][C][C@@H1][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][S][N][Branch1][C][C][C][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1][S][C][Ring1][=C][=C][Ring2][Ring1][C]
|
S8(=O)(=O)c1ccc2nc9sc2c1.c1%10cn(C)cn1.C7C[C@H]4C.N59C.CC6.S67.N48.C5%10
|
C=CC[C@@H](CC(C)C)C(=O)NC[C@H](C)NC(=O)c1ccccc1OCC(N)=O
|
C=CC[C@@H]CCC)C)))C=O)NC[C@H]C)NC=O)cccccc6OCCN)=O
|
[C][=C][C][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][N][=O]
|
C=CC[C@@H](CC(C)C)C2=O.c18ccccc15.C6[C@@H]7C.C4C(N)=O.C38=O.N26.N37.O45
|
COc1c(Cl)cccc1CNC(=O)Nc1cc(Cl)c(Cl)cc1Cl
|
COccCl)cccc6CNC=O)NcccCl)cCl)cc6Cl
|
[C][O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl]
|
c16cc(Cl)c(Cl)cc1Cl.c14c7cccc1Cl.C23=O.CO4.C57.N25.N36
|
CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)[C@@H]1CC12CCC(F)(F)CC2
|
CC[C@H]C=O)OCC)C)C))))NC)C=O)[C@@H]CC3CCCF)F)CC6
|
[C][C][C@H1][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C][Ring1][Ring1][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2]
|
[C@@H]17CC12CCC(F)(F)CC2.CC[C@@H]6C3=O.C5(C)(C)C.N46C.C47=O.O35
|
CCS[C@@H](C)C(=O)N[C@H]1CCN(C(=O)C=C2CCC(C(C)(C)C)CC2)C1
|
CCS[C@@H]C)C=O)N[C@H]CCNC=O)C=CCCCCC)C)C))CC6))))))))C5
|
[C][C][S][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#Branch2][C][Ring2][Ring1][C]
|
C1=8CCC9CC1.[C@H]17CCN4C1.[C@H]6(C)C3=O.C4(=O)C=8.C9(C)(C)C.CC5.S56.N37
|
Cc1ocnc1C(=O)N[C@](C)(CNC(=O)c1cnc2cccnc2c1)C1CC1
|
Ccocnc5C=O)N[C@]C)CNC=O)ccnccccnc6c%10)))))))))))))CCC3
|
[C][C][O][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C@][Branch1][C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][C][Ring1][Ring1]
|
c18cnc2cccnc2c1.Cc1ocnc17.[C@]59(C)C6.C37=O.C48=O.C19CC1.N35.N46
|
CN=c1[nH]ccc(C(=O)NC[C@]2(C)CCCN(C(=O)CP(C)(C)=O)C2)c1[N+](=O)[O-]
|
CN=c[nH]cccC=O)NC[C@]C)CCCNC=O)CPC)C)=O))))C6)))))))))c6[N+]=O)[O-]
|
[C][N][=C][NH1][C][=C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][P][Branch1][C][C][Branch1][C][C][=O][C][Ring1][=C][=C][Ring2][Ring1][Branch2][N+1][=Branch1][C][=O][O-1]
|
CN=c1[nH]ccc6c1[N+](=O)[O-].[C@@]17(C)CCCN4C1.C4(=O)CP(C)(C)=O.C36=O.N35.C57
|
CC[C@H](CN(C)C)C(=O)NC[C@H]1CC(C(=O)N(C)C[C@H](OC)C2CC2)=NO1
|
CC[C@H]CNC)C)))C=O)NC[C@H]CCC=O)NC)C[C@H]OC))CCC3)))))))=NO5
|
[C][C][C@H1][Branch1][#Branch1][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][Branch1][Ring1][O][C][C][C][C][Ring1][Ring1][=N][O][Ring1][S]
|
[C@H]19CC(C4=O)=NO1.CC[C@H](C6)C3=O.C8[C@H]5%10.N6(C)C.N48C.C1%10CC1.N37.C79.O5C
|
CC(C)n1cc(C(=O)NCCN(C(=O)C2(CF)CC(F)(F)C2)C2CC2)cn1
|
CCC)nccC=O)NCCNC=O)CCF))CCF)F)C4)))))CCC3))))))))cn5
|
[C][C][Branch1][C][C][N][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][Ring1][C][F][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][Branch2][C][C][C][Ring1][Ring1][C][=N][Ring2][Ring1][Branch2]
|
C18%11CC(F)(F)C1.n1%10cc9cn1.CC%10C.C39=O.C5C6.N467.C48=O.C17CC1.N35.C%11F
|
CC[C@@H](O)CNC(=O)C1(CNC(=O)[C@@H](OC)C(=O)OC)CC(C)(C)C1
|
CC[C@@H]O)CNC=O)CCNC=O)[C@@H]OC))C=O)OC)))))))CCC)C)C4
|
[C][C][C@@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][Ring1][O][C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][P]
|
C189CC(C)(C)C1.C4(=O)[C@@H]5C2=O.CC[C@@H](O)C6.C38=O.N36.C79.N47.O5C.O2C
|
Cn1cc(CCC(=O)N2CCC[C@H](C(=O)NCCCCc3ncc[nH]3)C2)cn1
|
CnccCCC=O)NCCC[C@H]C=O)NCCCCcncc[nH]5)))))))))))C6)))))))))cn5
|
[C][N][C][=C][Branch2][Ring2][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][C][=N][C][=C][NH1][Ring1][Branch1][C][Ring2][Ring1][C][C][=N][Ring2][Ring1][O]
|
N14CCC[C@H]7C1.Cn1cc9cn1.C9CC4=O.C6CCC8.c18ncc[nH]1.C57=O.N56
|
C=CCSCC(=O)N[C@H]1C[C@@](F)(CNC(=O)c2sc(C#N)cc2Cl)C1
|
C=CCSCC=O)N[C@H]C[C@@]F)CNC=O)cscC#N))cc5Cl)))))))))C4
|
[C][=C][C][S][C][C][=Branch1][C][=O][N][C@H1][C][C@@][Branch1][C][F][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][S][C][Branch1][Ring1][C][#N][=C][C][=Ring1][#Branch1][Cl][C][Ring1][P]
|
c19sc(C#N)cc1Cl.[C@H]18C[C@]%10(F)C1.C7C3=O.C=CC6.C49=O.S67.N38.C5%10.N45
|
O=S(=O)(Cc1ccc(Br)cc1)N1CCC[C@@H]2[C@@H]1CCN2Cc1ccc(F)nc1
|
O=S=O)CccccBr)cc6)))))))NCCC[C@@H][C@@H]6CCN5CccccF)nc6
|
[O][=S][=Branch1][C][=O][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][C][C@@H1][C@@H1][Ring1][=Branch1][C][C][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1]
|
N14CCC[C@@H]2[C@@H]1CCN23.c15ccc(Br)cc1.c16ccc(F)nc1.O=S4(=O)C5.C36
|
CCC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@]23CC[C@@](C)(C2)OC3)C12CCC2
|
CCCC)C)C=O)NC[C@@H]CCNC=O)[C@@]CC[C@@]C)C5)OC6)))))))C5CCC4
|
[C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C@@][C][C][C@@][Branch1][C][C][Branch1][Ring2][C][Ring1][=Branch1][O][C][Ring1][Branch2][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
[C@@H]18CCN5C12CCC2.[C@@]127CC[C@@](C)(C1)OC2.CCC(C)(C)C4=O.C57=O.N46.C68
|
Cc1nnc(CCNC(=O)[C@@H]2CNC(=O)CN2C(=O)[C@H](C)c2ccsc2)s1
|
CcnncCCNC=O)[C@@H]CNC=O)CN6C=O)[C@H]C)cccsc5)))))))))))))))))s5
|
[C][C][=N][N][=C][Branch2][Ring2][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][N][C][=Branch1][C][=O][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C][=C][S][C][=Ring1][Branch1][S][Ring2][Ring1][#Branch2]
|
[C@@H]16CNC(=O)CN14.Cc1nnc7s1.C4(=O)[C@@H]8C.c18ccsc1.C7C5.C36=O.N35
|
Cc1cc(Cl)c(C(=O)N2CC[C@@H]2CNC(=O)C2(F)CC2)cc1Br
|
CcccCl)cC=O)NCC[C@@H]4CNC=O)CF)CC3)))))))))))cc6Br
|
[C][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C@@H1][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][Branch1][C][F][C][C][Ring1][Ring2][C][=C][Ring2][Ring1][Branch1][Br]
|
Cc1cc(Cl)c7cc1Br.N13CC[C@@H]18.C16(F)CC1.C37=O.C46=O.C58.N45
|
CC1(CNC(=O)C(F)(F)c2ccccc2F)CC(NC(=O)c2ccc(O)cc2)C1
|
CCCNC=O)CF)F)cccccc6F)))))))))))CCNC=O)ccccO)cc6))))))))C4
|
[C][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring2][Ring1][N]
|
c19ccccc1F.c17ccc(O)cc1.CC18CC6C1.C3(=O)C9(F)F.C47=O.C58.N35.N46
|
CC(=O)c1c[nH]c(C(=O)NO[C@H](CC(C)C)C(=O)Nc2cccnc2C2CC2)c1
|
CC=O)cc[nH]cC=O)NO[C@H]CCC)C)))C=O)Nccccnc6CCC3)))))))))))))))c5
|
[C][C][=Branch1][C][=O][C][=C][NH1][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][#Branch2]
|
[C@@H]4(CC(C)C)C3=O.c15cccnc18.c17c[nH]c6c1.C6(=O)NO4.CC7=O.C18CC1.N35
|
C[C@H]1CC[C@@H](C(=O)N(C)CCOCCNC(=O)c2cnc(O)c3cncn23)S1
|
C[C@H]CC[C@@H]C=O)NC)CCOCCNC=O)ccncO)ccncn95))))))))))))))))))S5
|
[C][C@H1][C][C][C@@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][O][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][O][C][=C][N][=C][N][Ring1][#Branch2][Ring1][Branch1][S][Ring2][Ring1][O]
|
c1%11cnc(O)c2cncn12.C[C@H]1CC[C@@H]%10S1.C4%10=O.N48C.C8C6.C7C9.C5%11=O.O67.N59
|
Cc1ccncc1C(=O)N1CC[C@H](O)[C@@H]1C(=O)N[C@H](CO)C(N)=O
|
Ccccncc6C=O)NCC[C@H]O)[C@@H]5C=O)N[C@H]CO))CN)=O
|
[C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][O][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C][Branch1][C][N][=O]
|
Cc1ccncc16.N12CC[C@H](O)[C@@H]15.[C@@H]4(CO)C(N)=O.C26=O.C35=O.N34
|
CC(=O)O[C@H](C(=O)NCC[C@@H](C)NC(=O)c1cnc(N(C)C)c(Cl)c1)C(F)(F)F
|
CC=O)O[C@H]C=O)NCC[C@@H]C)NC=O)ccncNC)C))cCl)c6)))))))))))))CF)F)F
|
[C][C][=Branch1][C][=O][O][C@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][Branch1][C][Cl][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F]
|
[C@@H]5(C3=O)C(F)(F)F.c19cnc8c(Cl)c1.C6C[C@H]7C.CC2=O.C49=O.N8(C)C.O25.N36.N47
|
CC(=O)NCC(C)(C)C(=O)NCCOCCC(=O)NCC12CC(CCO1)C2
|
CC=O)NCCC)C)C=O)NCCOCCC=O)NCCCCCCO6)))C4
|
[C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=Branch1][C][C][O][Ring1][=Branch1][C][Ring1][#Branch1]
|
C8C(C)(C)C4=O.C12%11CC(CCO1)C2.C7CC5=O.CC3=O.C9C6.N38.N49.O67.N5%10.C%10%11
|
Cc1nc(C(=O)N2C[C@@H]3C[C@H](NC(=O)c4cc(C(N)=O)[nH]n4)[C@H]2C3)n[nH]1
|
CcncC=O)NC[C@@H]C[C@H]NC=O)cccCN)=O))[nH]n5)))))))[C@H]6C5))))))))n[nH]5
|
[C][C][=N][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][NH1][N][=Ring1][Branch2][C@H1][Ring1][P][C][Ring1][S][=N][NH1][Ring2][Ring1][=Branch2]
|
N15C[C@H]2C[C@@H]1[C@@H]7C2.Cc1nc8n[nH]1.c19cc%10[nH]n1.C58=O.C69=O.C%10(N)=O.N67
|
CCN1OC[C@H](N(C)C[C@H](C)c2ccc(F)cc2F)C1=O
|
CCNOC[C@H]NC)C[C@H]C)ccccF)cc6F))))))))))C5=O
|
[C][C][N][O][C][C@H1][Branch2][Ring1][=Branch1][N][Branch1][C][C][C][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][Ring2][Ring1][C][=O]
|
c16ccc(F)cc1F.N15OC[C@H]4C1=O.C3[C@@H]6C.N34C.CC5
|
CCc1cncc(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4(C)C(C)(C)C4(C)C)[C@@H]3C2)c1
|
CCccnccC=O)NC[C@@H]C[C@@H]CNC=O)CC)CC)C)C3C)C)))))))[C@@H]4C7))))))))c6
|
[C][C][C][=C][N][=C][C][Branch2][Ring2][N][C][=Branch1][C][=O][N][C][C@@H1][C][C@@H1][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch1][Branch1][C][C][C][C@@H1][Ring1][S][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][O]
|
N15C[C@@H]2C[C@@H]%10[C@@H]2C1.C18(C)C(C)(C)C1(C)C.c1%11cncc9c1.C59=O.C68=O.CC%11.C7%10.N67
|
C[S@+]([O-])CCCNS(=O)(=O)c1ccc(Br)cc1N[C@H](CF)c1ccc(C#N)cc1
|
C[S@+][O-])CCCNS=O)=O)ccccBr)cc6N[C@H]CF))ccccC#N))cc6
|
[C][S@+1][Branch1][C][O-1][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C@H1][Branch1][Ring1][C][F][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2]
|
S4(=O)(=O)c1ccc(Br)cc15.c16ccc(C#N)cc1.C[S@+]([O-])CCC2.[C@H]36CF.N24.N35
|
CCc1ncc(NC(=O)CNC(=O)CNC(=O)Cn2cccnc2=O)cn1
|
CCcnccNC=O)CNC=O)CNC=O)Cncccnc6=O))))))))))))))))cn6
|
[C][C][C][=N][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=C][C][=N][C][Ring1][=Branch1][=O][C][=N][Ring2][Ring1][=Branch2]
|
c1%10ncc8cn1.n19cccnc1=O.C3(=O)C6.C4(=O)C7.C5(=O)C9.CC%10.N38.N46.N57
|
CN(C)CC1(C(=O)NC2CC(N(C)C(=O)[C@H]3CC[C@H](C)CC3)C2)CCCCC1
|
CNC)CCC=O)NCCCNC)C=O)[C@H]CC[C@H]C)CC6))))))))C4))))))CCCCC6
|
[C][N][Branch1][C][C][C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][C][C][C@H1][Branch1][C][C][C][C][Ring1][#Branch1][C][Ring1][#C][C][C][C][C][C][Ring2][Ring1][Branch2]
|
C19%11CCCCC1.[C@H]1%10CC[C@H](C)CC1.C17CC8C1.CN6C.C49=O.N58C.C5%10=O.C6%11.N47
|
CCCCCCCCC(=O)N(C)CCN(C(=O)Cc1c(C)nn(C)c1C)C(C)C
|
CCCCCCCCC=O)NC)CCNC=O)CccC)nnC)c5C))))))))CC)C
|
[C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][Branch1][C][C][C]
|
CCCCCCCCC2=O.c17c(C)nn(C)c1C.C3(=O)C7.N24C.C4C5.N356.C6(C)C
|
Cc1ccn(C[C@@H](C)C(=O)NC[C@H](C)CNC(=O)C2(CO)CC2)n1
|
CcccnC[C@@H]C)C=O)NC[C@H]C)CNC=O)CCO))CC3))))))))))))n5
|
[C][C][C][=C][N][Branch2][Ring1][#C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][C][C][Ring1][Branch1][N][=Ring2][Ring1][#Branch1]
|
Cc1ccn8n1.C8[C@@H](C)C3=O.C5[C@H](C)C6.C179CC1.C47=O.N35.N46.C9O
|
CCCCn1nnnc1[C@@]1(NCC23CCC(CC2)CC3)CCS[C@@H]1C
|
CCCCnnnnc5[C@@]NCCCCCCC6))CC6))))))))CCS[C@@H]5C
|
[C][C][C][C][N][N][=N][N][=C][Ring1][Branch1][C@@][Branch1][P][N][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Ring1][Branch2][C][C][S][C@@H1][Ring1][#C][C]
|
C127CCC(CC1)CC2.[C@@]148CCS[C@@H]1C.n16nnnc18.CCCC6.N45.C57
|
CN1CC=C(C(=O)NC2C(C)(C)C(NC(=O)C3C=CC=CC=C3)C2(C)C)C1
|
CNCC=CC=O)NCCC)C)CNC=O)CC=CC=CC=C7)))))))))C4C)C)))))))C5
|
[C][N][C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][#Branch1][C][Ring1][S][Branch1][C][C][C][C][Ring2][Ring1][#Branch2]
|
C16C(C)(C)C7C1(C)C.CN1CC=C(C4=O)C1.C18C=CC=CC=C1.C58=O.N46.N57
|
O=C(C=Cc1cn[nH]c1)NC[C@]1(F)C[C@H](NC(=O)c2cc3c(nc2O)CCC3)C1
|
O=CC=Cccn[nH]c5)))))))NC[C@]F)C[C@H]NC=O)ccccnc6O)))CCC5)))))))))C4
|
[O][=C][Branch1][#Branch2][C][=C][C][C][=N][NH1][C][=Ring1][Branch1][N][C][C@][Branch1][C][F][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][=C][Ring1][=Branch1][O][C][C][C][Ring1][Branch2][C][Ring2][Ring1][C]
|
c18cc2c(nc1O)CCC2.C=9c1cn[nH]c1.[C@]1%10(F)C[C@@H]7C1.O=C4C=9.C58=O.N46.C6%10.N57
|
CC(C)(C)C[C@](C)(NC[C@@H](CO)c1ccccc1)c1nnnn1CCC1(C)CC1
|
CCC)C)C[C@]C)NC[C@@H]CO))cccccc6)))))))))cnnnn5CCCC)CC3
|
[C][C][Branch1][C][C][Branch1][C][C][C][C@][Branch1][C][C][Branch1][S][N][C][C@@H1][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=N][N][Ring1][Branch1][C][C][C][Branch1][C][C][C][C][Ring1][Ring2]
|
CC(C)(C)C[C@]25C.c17ccccc1.c15nnnn14.C3[C@H]7CO.C16(C)CC1.C4C6.N23
|
CC(C)(Cc1ccccc1)C(=O)NC[C@@H]1CN(Cc2ccc(Br)cc2I)CCO1
|
CCC)Ccccccc6)))))))C=O)NC[C@@H]CNCccccBr)cc6I))))))))CCO6
|
[C][C][Branch1][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][I][C][C][O][Ring1][#C]
|
c18ccc(Br)cc1I.CC(C)(C7)C3=O.[C@@H]16CN5CCO1.c17ccccc1.N34.C46.C58
|
CCCOCCC(=O)N1CCCCC12CN(C(=O)CCCCC[C@@H](C)O)C2
|
CCCOCCC=O)NCCCCC6CNC=O)CCCCC[C@@H]C)O))))))))C4
|
[C][C][C][O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][C][C][C@@H1][Branch1][C][C][O][C][Ring1][=C]
|
N13CCCCC12CN4C2.C4(=O)CCCCC[C@@H](C)O.C6CC3=O.CCC5.O56
|
O=C1CC(CC(=O)N2CCN(C(=O)C(=O)NC3CC3)[C@@H](C3CCC3)C2)=NN1
|
O=CCCCC=O)NCCNC=O)C=O)NCCC3))))))[C@@H]CCCC4))))C6))))))))=NN5
|
[O][=C][C][C][Branch2][Ring2][#Branch1][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C@@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][C][Ring2][Ring1][C][=N][N][Ring2][Ring1][#Branch2]
|
O=C1CC(CC4=O)=NN1.N14CCN5[C@@H]8C1.C5(=O)C6=O.C18CCC1.C17CC1.N67
|
O=C([C@H]1CCCC1(F)F)N1CCC[C@H]1CCNC(=O)C1(c2cccnc2)CCC1
|
O=C[C@H]CCCC5F)F))))))NCCC[C@H]5CCNC=O)Cccccnc6))))))CCC4
|
[O][=C][Branch1][N][C@H1][C][C][C][C][Ring1][Branch1][Branch1][C][F][F][N][C][C][C][C@H1][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][#Branch2]
|
[C@H]16CCCC1(F)F.N13CCC[C@H]18.c19cccnc1.C179CCC1.O=C36.C8C5.C47=O.N45
|
CO[C@H](C(=O)N1CC2=C(CN(C(=O)Cn3nc(C4CC4)n(C)c3=O)C2)C1)C1CC1
|
CO[C@H]C=O)NCC=CCNC=O)CnncCCC3)))nC)c5=O))))))))C5)))C5))))))CCC3
|
[C][O][C@H1][Branch2][Ring2][S][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][P][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch1][C][C][C][Ring1][=Branch2][=O][C][Ring2][Ring1][C][C][Ring2][Ring1][Branch1][C][C][C][Ring1][Ring1]
|
N15CC2=C(C1)CN6C2.n18nc%10n(C)c1=O.[C@H]79C5=O.C6(=O)C8.C1%10CC1.C19CC1.CO7
|
O=C(NCc1cn([C@@H]2CCOC2)nn1)N1CCC(Oc2cc(F)ccc2F)CC1
|
O=CNCccn[C@@H]CCOC5)))))nn5)))))))NCCCOcccF)ccc6F))))))))CC6
|
[O][=C][Branch2][Ring1][Ring1][N][C][C][=C][N][Branch1][Branch2][C@@H1][C][C][O][C][Ring1][Branch1][N][=N][Ring1][#Branch2][N][C][C][C][Branch1][=C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][C][Ring1][#C]
|
c16cc(F)ccc1F.N14CCC5CC1.c18cn9nn1.[C@@H]19CCOC1.O=C34.N37.C78.O56
|
N#Cc1ccc(F)c(CN2C[C@H]3[C@H](C2)N3C(=O)Cc2ccc(Br)cc2F)c1
|
N#CccccF)cCNC[C@H][C@H]C5)N3C=O)CccccBr)cc6F)))))))))))))))c6
|
[N][#C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][#C][C][N][C][C@H1][C@H1][Branch1][Ring2][C][Ring1][Branch1][N][Ring1][Ring2][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][=Branch2]
|
N#Cc1ccc(F)c6c1.c17ccc(Br)cc1F.N15C[C@H]2[C@H](C1)N24.C4(=O)C7.C56
|
O=C(N1CCCN(CCNC(=O)[C@@]23C=C[C@@H](CC2)C3)CC1)C(F)(F)c1cncs1
|
O=CNCCCNCCNC=O)[C@@]C=C[C@@H]CC6))C5)))))))))CC7)))))))CF)F)ccncs5
|
[O][=C][Branch2][Ring2][C][N][C][C][C][N][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C@@][C][=C][C@@H1][Branch1][Branch1][C][C][Ring1][=Branch1][C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][C][=C][N][=C][S][Ring1][Branch1]
|
N14CCCN6CC1.[C@@]128C=C[C@@H](CC1)C2.O=C4C9(F)F.c19cncs1.C6C7.C58=O.N57
|
CC[C@]1(C)CN(C(=O)[C@@H]2CN(C(=O)c3ncoc3C)CC(C)(C)C2)CCO1
|
CC[C@]C)CNC=O)[C@@H]CNC=O)cncoc5C)))))))CCC)C)C6)))))))CCO6
|
[C][C][C@][Branch1][C][C][C][N][Branch2][Ring1][P][C][=Branch1][C][=O][C@@H1][C][N][Branch1][=N][C][=Branch1][C][=O][C][N][=C][O][C][=Ring1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][S][C][C][O][Ring2][Ring1][=Branch2]
|
[C@@H]17CN5CC(C)(C)C1.[C@@]18(C)CN4CCO1.c16ncoc1C.C47=O.C56=O.CC8
|
CSCC[C@@H](NC(=O)[C@H](O)CC(C)C)C(=O)N[C@H]1CC[C@@H](C(N)=O)C1
|
CSCC[C@@H]NC=O)[C@H]O)CCC)C))))))C=O)N[C@H]CC[C@@H]CN)=O))C5
|
[C][S][C][C][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][Branch2]
|
C2(=O)[C@H](O)CC(C)C.C5C[C@@H]4C3=O.[C@H]16CC[C@@H]7C1.C7(N)=O.CS5.N24.N36
|
CCCCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cnncc2NC)C[C@H]1O
|
CCCCS=O)=O)N[C@H]C)C=O)N[C@@H]CNC=O)ccnncc6NC)))))))))C[C@H]5O
|
[C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][N][=N][C][=C][Ring1][=Branch1][N][C][C][C@H1][Ring1][#C][O]
|
CCCCS6(=O)=O.[C@@H]18CN4C[C@H]1O.c19cnncc17.[C@@H]5(C)C3=O.C49=O.N56.N38.N7C
|
CC(C)(C)[C@@H](CNC(=O)CN1CC=CC1)NC(=O)[C@H]1CC1(F)F
|
CCC)C)[C@@H]CNC=O)CNCC=CC5)))))))))NC=O)[C@H]CC3F)F
|
[C][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][N][C][C][=C][C][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][C][C][Ring1][Ring1][Branch1][C][F][F]
|
CC(C)(C)[C@H]4C5.N16CC=CC1.[C@H]17CC1(F)F.C2(=O)C6.C37=O.N25.N34
|
CC(=O)c1cccnc1NC1CCC(N(C)C(=O)c2cnn(C(C)C)c2C)CC1
|
CC=O)ccccnc6NCCCCNC)C=O)ccnnCC)C))c5C))))))))CC6
|
[C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Branch2][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Ring1][Branch2][C][C][C][Ring2][Ring1][Ring1]
|
c17cccnc14.C15CCC6CC1.c18cnn9c1C.CC7=O.N36C.C38=O.C9(C)C.N45
|
O=C(NC[C@@H]1CC2(CC2)CO1)c1ccc(-n2cc([C@H]3CCCO3)nn2)cc1
|
O=CNC[C@@H]CCCC3))CO5)))))))cccc-ncc[C@H]CCCO5)))))nn5)))))cc6
|
[O][=C][Branch1][S][N][C][C@@H1][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][O][Ring1][#Branch1][C][=C][C][=C][Branch1][P][N][C][=C][Branch1][Branch2][C@H1][C][C][C][O][Ring1][Branch1][N][=N][Ring1][#Branch2][C][=C][Ring1][S]
|
[C@@H]17CC2(CC2)CO1.c16ccc8cc1.n18cc9nn1.[C@H]19CCCO1.O=C46.N45.C57
|
O=C(Nc1ccnn1CCCO)[C@H]1CN(C(=O)CSc2nc[nH]n2)CCO1
|
O=CNcccnn5CCCO))))))))))[C@H]CNC=O)CScnc[nH]n5))))))))CCO6
|
[O][=C][Branch1][=N][N][C][=C][C][=N][N][Ring1][Branch1][C][C][C][O][C@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][S][C][N][=C][NH1][N][=Ring1][Branch1][C][C][O][Ring1][#C]
|
[C@H]17CN4CCO1.c16ccnn18.c19nc[nH]n1.C8CCO.C4(=O)C5.O=C37.N36.S59
|
Cc1csc(CNC(=O)[C@H]2CCN(C(=O)c3ccc(Cl)cn3)[C@H]2C)n1
|
CccscCNC=O)[C@H]CCNC=O)ccccCl)cn6)))))))[C@H]5C)))))))))n5
|
[C][C][=C][S][C][Branch2][Ring1][S][C][N][C][=Branch1][C][=O][C@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C@H1][Ring1][=C][C][=N][Ring2][Ring1][Branch2]
|
[C@H]18CCN5[C@H]1C.c17ccc(Cl)cn1.Cc1csc9n1.C48=O.C57=O.C69.N46
|
O=C(NC[C@H]1COC[C@H]1NC(=O)[C@H]1C[C@@H](O)C1)c1sccc1F
|
O=CNC[C@H]COC[C@H]5NC=O)[C@H]C[C@@H]O)C4)))))))))))))csccc5F
|
[O][=C][Branch2][Ring1][Branch2][N][C][C@H1][C][O][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][C][C@@H1][Branch1][C][O][C][Ring1][Branch1][C][S][C][=C][C][=Ring1][Branch1][F]
|
[C@H]18COC[C@H]15.c16sccc1F.[C@H]17C[C@@H](O)C1.O=C26.C37=O.N24.C48.N35
|
COc1cccc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2cc(F)ccc2OC)n1
|
COcccccC=O)N[C@H]C)[C@@H]C)C=O)NcccF)ccc6OC))))))))))))))n6
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][=N][Ring2][Ring1][=Branch2]
|
c18cc(F)ccc16.c15cccc9n1.[C@@H]7(C)[C@@H](C)C4=O.C39=O.CO5.N37.N48.O6C
|
C[C@@]1(CNC(=O)/C=C/c2cnc[nH]2)COCCN(C(=O)c2cn(C3CC3)nn2)C1
|
C[C@@]CNC=O)/C=C/ccnc[nH]5))))))))))COCCNC=O)ccnCCC3)))nn5))))))C7
|
[C][C@@][Branch1][S][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][N][=C][NH1][Ring1][Branch1][C][O][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=N][Ring1][Branch2][C][Ring2][Ring1][N]
|
C[C@@]19COCCN5C1.C=8c1cnc[nH]1.c17cn%10nn1.C4(=O)C=8.C57=O.C1%10CC1.C69.N46
|
COCC(=O)N(C)[C@H](C)CNC(=O)c1ccc(Br)cc1OC
|
COCC=O)NC)[C@H]C)CNC=O)ccccBr)cc6OC
|
[C][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][C]
|
c18ccc(Br)cc15.C4C2=O.[C@@H]6(C)C7.N26C.C38=O.CO4.N37.O5C
|
Cc1cnn(C)c1C(=O)NC[C@@H](C)CC(=O)N1CC2(CC[C@@H]2O)C1
|
CccnnC)c5C=O)NC[C@@H]C)CC=O)NCCCC[C@@H]4O))))C4
|
[C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][#Branch1][C][C][C@@H1][Ring1][Ring2][O][C][Ring1][Branch2]
|
N14CC2(CC[C@@H]2O)C1.Cc1cnn(C)c16.C5[C@@H](C)CC4=O.C36=O.N35
|
Cc1cc(C(=O)N[C@H]2[C@@H](C(=O)N[C@H]3CC[C@@H](C(N)=O)C3)C2(C)C)cc(O)n1
|
CcccC=O)N[C@H][C@@H]C=O)N[C@H]CC[C@@H]CN)=O))C5)))))))C3C)C))))))ccO)n6
|
[C][C][=C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@H1][C@@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][Branch2][C][Ring1][=C][Branch1][C][C][C][=C][C][Branch1][C][O][=N][Ring2][Ring1][#Branch2]
|
Cc1cc%10cc(O)n1.[C@H]16[C@@H]8C1(C)C.[C@H]17CC[C@@H]9C1.C4%10=O.C58=O.C9(N)=O.N46.N57
|
CC(C)CC(=O)NCCC(=O)NCCC1(CNC(=O)C=Cc2cnc[nH]2)CC1
|
CCC)CC=O)NCCC=O)NCCCCNC=O)C=Cccnc[nH]5))))))))))CC3
|
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][S][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][NH1][Ring1][Branch1][C][C][Ring1][=C]
|
CC(C)CC3=O.C=9c1cnc[nH]1.C6CC4=O.C1%10%11CC1.C5(=O)C=9.C7C%10.N36.N47.C8%11.N58
|
CC[C@H](C)N(C)C(=O)C1=C[C@@]2(CCN(C(=O)c3cc(C)n(C)c3C)C2)C1
|
CC[C@H]C)NC)C=O)C=C[C@@]CCNC=O)cccC)nC)c5C)))))))C5))))C4
|
[C][C][C@H1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C@@][Branch2][Ring1][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][Ring1][#C][C][Ring2][Ring1][C]
|
C4(=O)C1=C[C@@]2(CCN5C2)C1.c17cc(C)n(C)c1C.CC[C@@H]6C.N46C.C57=O
|
CCC(CC)[C@H](F)C(=O)N1C[C@@H](C(=O)N2CCOCC[C@@H]2C)CC12CCC2
|
CCCCC))[C@H]F)C=O)NC[C@@H]C=O)NCCOCC[C@@H]7C)))))))))CC5CCC4
|
[C][C][C][Branch1][Ring1][C][C][C@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][C@@H1][Branch1][#C][C][=Branch1][C][=O][N][C][C][O][C][C][C@@H1][Ring1][#Branch1][C][C][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
CCC(CC)[C@H](F)C3=O.N13C[C@@H]5CC12CCC2.N14CCOCC[C@@H]1C.C45=O
|
C/C=C/C[C@H](C)C(=O)N1CC[C@@H]2[C@H](NC(=O)C3(C4CC4)CC3)C[C@@H]21
|
C/C=C/C[C@H]C)C=O)NCC[C@@H][C@H]NC=O)CCCC3)))CC3)))))C[C@@H]47
|
[C][/C][=C][/C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][=Branch1][C][C@@H1][Ring1][=N][Ring1][S]
|
N15CC[C@@H]2[C@H]7C[C@@H]21.C=9C[C@H](C)C5=O.C18(C2CC2)CC1.C68=O.CC=9.N67
|
CCOC(=O)NCC(=O)NCc1cc(C(=O)N2[C@@H](C(=O)OC)C[C@@H]2C)n[nH]1
|
CCOC=O)NCC=O)NCcccC=O)N[C@@H]C=O)OC)))C[C@@H]4C))))))n[nH]5
|
[C][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C@@H1][Ring1][Branch2][C][=N][NH1][Ring1][S]
|
c15cc4n[nH]1.N19[C@@H]%13C[C@@H]1C.C%11C8=O.C37=O.C94=O.C6%13=O.CC%10.O3%10.N7%11.N8%12.C%125.O6C
|
CC(=O)c1cc(C(=O)N2CC[C@H]([C@H]3CCN(C(=O)/C=C/c4cnc[nH]4)C3)C2)no1
|
CC=O)cccC=O)NCC[C@H][C@H]CCNC=O)/C=C/ccnc[nH]5))))))))C5)))))C5))))))no5
|
[C][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][#Branch1][C@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][/C][=C][/C][=C][N][=C][NH1][Ring1][Branch1][C][Ring1][=C][C][Ring2][Ring1][Ring1][=N][O][Ring2][Ring1][#Branch2]
|
N15CC[C@H]([C@H]2CCN6C2)C1.c17cc8no1.C=9c1cnc[nH]1.C6(=O)C=9.CC7=O.C58=O
|
C[C@@H](CNC(=O)CC1(NC(=O)c2cnn(C)c2)CCC1)N(C)C1CC1
|
C[C@@H]CNC=O)CCNC=O)ccnnC)c5)))))))CCC4))))))))NC)CCC3
|
[C][C@@H1][Branch2][Ring1][#C][C][N][C][=Branch1][C][=O][C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][C][Ring1][=N][N][Branch1][C][C][C][C][C][Ring1][Ring1]
|
c19cnn(C)c1.C17%10CCC1.C[C@H]5C6.C3(=O)C%10.C49=O.N58C.C18CC1.N36.N47
|
CCCc1nccn1CC(=O)N1C[C@H](NC(=O)[C@@]2(C)CCCOC2)[C@@H](C(F)F)C1
|
CCCcnccn5CC=O)NC[C@H]NC=O)[C@@]C)CCCOC6))))))))[C@@H]CF)F))C5
|
[C][C][C][C][=N][C][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][C][O][C][Ring1][#Branch1][C@@H1][Branch1][=Branch1][C][Branch1][C][F][F][C][Ring2][Ring1][C]
|
N13C[C@H]5[C@@H]9C1.[C@]16(C)CCCOC1.c18nccn17.C7C3=O.CCC8.C46=O.C9(F)F.N45
|
CC1=NNC(=O)[C@@H]1CC(=O)NC1CN(C(=O)[C@H](C(C)C)N2CCCCC2)C1
|
CC=NNC=O)[C@@H]5CC=O)NCCNC=O)[C@H]CC)C))NCCCCC6))))))))C4
|
[C][C][=N][N][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][S]
|
CC1=NNC(=O)[C@@H]17.C4(=O)[C@@H]5C(C)C.N15CCCCC1.C16CN4C1.C7C3=O.N36
|
N#C[C@@H]1COCCN1[C@H](C(=O)NCc1cccc2ccccc12)c1ncc(I)s1
|
N#C[C@@H]COCCN6[C@H]C=O)NCcccccccccc%106)))))))))))))cnccI)s5
|
[N][#C][C@@H1][C][O][C][C][N][Ring1][=Branch1][C@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=N][C][=C][Branch1][C][I][S][Ring1][=Branch1]
|
c17cccc2ccccc12.N#C[C@@H]1COCCN14.c16ncc(I)s1.[C@H]46C3=O.N35.C57
|
COc1cc(S(=O)(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)c(F)cn1
|
COcccS=O)=O)NCC[C@H]CCC[C@@H]C8)N6Ccccccc6)))))))))))))))))cF)cn6
|
[C][O][C][=C][C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C@H1][C][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][F][C][=N][Ring2][Ring1][O]
|
c14cc(S6(=O)=O)c(F)cn1.C17C[C@H]2CCC[C@@H](C1)N25.c18ccccc1.CO4.N67.C58
|
CCC[C@@H](C(=O)N[C@@H](COCC)C(=O)NCCNC(=O)CC)C(C)C
|
CCC[C@@H]C=O)N[C@@H]COCC))))C=O)NCCNC=O)CC)))))))))))CC)C
|
[C][C][C][C@@H1][Branch2][Ring1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][O][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][C]
|
CCC[C@@H](C1=O)C(C)C.[C@H]6(C4)C2=O.C3(=O)CC.C7C8.N16.O45.C5C.N27.N38
|
C[C@H](CNC(=O)C=Cc1cc[nH]c1)NC(=O)c1cc(F)c(C(F)(F)F)cc1F
|
C[C@H]CNC=O)C=Cccc[nH]c5))))))))))NC=O)cccF)cCF)F)F))cc6F
|
[C][C@H1][Branch1][S][C][N][C][=Branch1][C][=O][C][=C][C][C][=C][NH1][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][F]
|
c16cc(F)c8cc1F.C=7c1cc[nH]c1.C[C@@H]4C5.C2(=O)C=7.C8(F)(F)F.C36=O.N25.N34
|
CN(C(=O)C(=O)C(C)(C)C)C1CCN(C(=O)Cn2nnc(-c3cccs3)n2)CC1
|
CNC=O)C=O)CC)C)C))))CCCNC=O)Cnnnc-ccccs5)))))n5)))))))CC6
|
[C][N][Branch1][P][C][=Branch1][C][=O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1]
|
C4(=O)C(=O)C(C)(C)C.C16CCN5CC1.n17nnc8n1.c18cccs1.C5(=O)C7.CN46
|
C#C[C@@H]1CN(C(=O)[C@H]2[C@H]3CC[C@@H](C3)C2(C)C)CCN1C(=O)C(F)=CC1CC1
|
C#C[C@@H]CNC=O)[C@H][C@H]CC[C@@H]C5)C6C)C))))))))CCN6C=O)CF)=CCCC3
|
[C][#C][C@@H1][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][Branch1][C][C][C][C][C][N][Ring1][P][C][=Branch1][C][=O][C][Branch1][C][F][=C][C][C][C][Ring1][Ring1]
|
C#C[C@@H]1CN4CCN15.[C@H]16[C@H]2CC[C@@H](C2)C1(C)C.C5(=O)C=7F.C=7C1CC1.C46=O
|
C=CCCn1c(Cc2ccccc2F)nnc1N1CC[C@H](CF)C1
|
C=CCCncCcccccc6F))))))))nnc5NCC[C@H]CF))C5
|
[C][=C][C][C][N][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][=C][Ring1][=N][N][C][C][C@H1][Branch1][Ring1][C][F][C][Ring1][#Branch1]
|
n14c3nnc15.c17ccccc1F.N13CC[C@H]6C1.C=CCC4.C57.C6F
|
CC[C@@H](CC(=O)OC)N(C)C(=O)CCOc1ccccc1C(N)=O
|
CC[C@@H]CC=O)OC))))NC)C=O)CCOcccccc6CN)=O
|
[C][C][C@@H1][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O]
|
CC[C@H]6CC2=O.c15ccccc17.C3(=O)CC4.N36C.C7(N)=O.O2C.O45
|
C#CCCCCCC(=O)N1CC[C@]2(CCCN2C(=O)C=Cc2nccs2)C1
|
C#CCCCCCC=O)NCC[C@]CCCN5C=O)C=Ccnccs5))))))))))))C5
|
[C][#C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C@][Branch2][Ring1][Ring2][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][S][Ring1][Branch1][C][Ring2][Ring1][C]
|
N13CC[C@]2(CCCN24)C1.C#CCCCCCC3=O.C=5c1nccs1.C4(=O)C=5
|
C[C@H]1[C@H](C(=O)N2CC(O)(CCNC(=O)[C@@H]3CC=CCC3)C2)[C@@H](C)O[C@H]1C
|
C[C@H][C@H]C=O)NCCO)CCNC=O)[C@@H]CC=CCC6))))))))))C4)))))[C@@H]C)O[C@H]5C
|
[C][C@H1][C@H1][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch1][S][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][=C][C][C][Ring1][=Branch1][C][Ring1][S][C@@H1][Branch1][C][C][O][C@H1][Ring2][Ring1][Branch2][C]
|
C[C@H]1[C@H]7[C@@H](C)O[C@H]1C.N14CC9(O)C1.[C@@H]18CC=CCC1.C47=O.C9C6.C58=O.N56
|
CO[C@H](CNC(=O)c1csc(C2CCCCC2)n1)CNC(=O)[C@@H]1C[C@@H]1C#N
|
CO[C@H]CNC=O)ccscCCCCCC6))))))n5))))))))CNC=O)[C@@H]C[C@@H]3C#N
|
[C][O][C@H1][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Ring1][Ring1][C][#N]
|
c18csc%10n1.C1%10CCCCC1.[C@@H]5(C6)C7.[C@@H]19C[C@@H]1C#N.C38=O.C49=O.CO5.N36.N47
|
C[C@@H](CNC(=O)COc1c(Cl)cc(Cl)cc1Cl)CNC(=O)[C@@]1(O)CCOC1
|
C[C@@H]CNC=O)COccCl)ccCl)cc6Cl))))))))))))CNC=O)[C@@]O)CCOC5
|
[C][C@@H1][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][C][N][C][=Branch1][C][=O][C@@][Branch1][C][O][C][C][O][C][Ring1][=Branch1]
|
c15c(Cl)cc(Cl)cc1Cl.[C@]18(O)CCOC1.C[C@@H](C6)C7.C2(=O)C4.C38=O.N26.O45.N37
|
CCC[C@@H](OCC)C(=O)NC(C)(C)[C@@H](C)NC(=O)c1cccc2nnn(C)c12
|
CCC[C@@H]OCC)))C=O)NCC)C)[C@@H]C)NC=O)cccccnnnC)c95
|
[C][C][C][C@@H1][Branch1][Ring2][O][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][N][=N][N][Branch1][C][C][C][Ring1][#Branch2][=Ring1][=Branch1]
|
c19cccc2nnn(C)c12.CCC[C@@H]5C3=O.C7(C)(C)[C@H]8C.C49=O.O56.C6C.N37.N48
|
O=C(CCOCC(F)F)NC[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1=C(Cl)CCCC1)C2
|
O=CCCOCCF)F))))))NC[C@H]C[C@H]C[C@@H]C6)NC=O)C=CCl)CCCC6)))))))C5
|
[O][=C][Branch1][#Branch2][C][C][O][C][C][Branch1][C][F][F][N][C][C@H1][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][N][Branch1][S][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][C][C][C][Ring1][#Branch1][C][Ring1][#C]
|
[C@H]18C[C@H]2C[C@@H](C1)N4C2.C4(=O)C1=C(Cl)CCCC1.O=C3CC5.C6C(F)F.O56.N37.C78
|
COC[C@](C)(O)C(=O)N[C@@H]1CN(C(=O)c2ccc3c(c2)COC3)CC[C@H]1C
|
COC[C@]C)O)C=O)N[C@@H]CNC=O)cccccc6)COC5)))))))))CC[C@H]6C
|
[C][O][C][C@][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C@@H1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][C][C][C@H1][Ring1][P][C]
|
c18ccc2c(c1)COC2.[C@@H]17CN5CC[C@H]1C.C6[C@](C)(O)C4=O.C58=O.CO6.N47
|
COc1nc(=NC[C@H]2C[C@@H](NC(=O)CCCCCCSC)C2)nc(OC)[nH]1
|
COcnc=NC[C@H]C[C@@H]NC=O)CCCCCCSC))))))))))C4))))))ncOC))[nH]6
|
[C][O][C][=N][C][=Branch2][Ring1][Branch2][=N][C][C@H1][C][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][S][C][C][Ring1][#C][N][=C][Branch1][Ring1][O][C][NH1][Ring2][Ring1][=Branch2]
|
c14nc(=NC8)nc5[nH]1.C3(=O)CCCCCC6.[C@H]18C[C@@H]7C1.CO4.N37.S6C.O5C
|
COCCOCCC(=O)N1CC[C@H]2C[C@@]2(C(=O)NCCC23CC(CO2)C3)CC1
|
COCCOCCC=O)NCC[C@H]C[C@@]3C=O)NCCCCCCO5))C4))))))))CC8
|
[C][O][C][C][O][C][C][C][=Branch1][C][=O][N][C][C][C@H1][C][C@@][Ring1][Ring1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][Branch1][C][O][Ring1][Branch1][C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1]
|
N14CC[C@H]2C[C@@]2%10CC1.C12%11CC(CO1)C2.C8CC4=O.C6C7.C5%10=O.C9C%11.CO6.O78.N59
|
C=CC[C@H](CNC(=O)c1n[nH]cc1OC)NC(=O)C[C@@H](C)c1ccccc1OC
|
C=CC[C@H]CNC=O)cn[nH]cc5OC))))))))))NC=O)C[C@@H]C)cccccc6OC
|
[C][=C][C][C@H1][Branch1][S][C][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][O][C][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C]
|
c19ccccc15.C=CC[C@@H]6C7.c18n[nH]cc14.C3(=O)C[C@H]9C.C28=O.N27.O4C.N36.O5C
|
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